N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide

C21H29N5O3 — CID 154798138

IUPACN-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
SMILESCOCCc1cc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)n(C)n1
InChIInChI=1S/C21H29N5O3/c1-15-6-4-5-7-18(15)20(27)22-16-8-11-26(12-9-16)21(28)23-19-14-17(10-13-29-3)24-25(19)2/h4-7,14,16H,8-13H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyNUNOFKVDLBTUFT-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.34
Rot. Bonds6

About N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide

N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide (PubChem CID 154798138) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
PubChem CID154798138
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
SMILESCOCCc1cc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)n(C)n1
InChIInChI=1S/C21H29N5O3/c1-15-6-4-5-7-18(15)20(27)22-16-8-11-26(12-9-16)21(28)23-19-14-17(10-13-29-3)24-25(19)2/h4-7,14,16H,8-13H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyNUNOFKVDLBTUFT-UHFFFAOYSA-N
XLogP2.34
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 120985992
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide
CID 154797764
N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 55688991
N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
CID 75463503
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648
(1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide
CID 136586240
2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 39510641
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide (CID 154798138) is N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide is COCCc1cc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)n(C)n1.
What is the InChIKey of N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide?
The InChIKey is NUNOFKVDLBTUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-15-6-4-5-7-18(15)20(27)22-16-8-11-26(12-9-16)21(28)23-19-14-17(10-13-29-3)24-25(19)2/h4-7,14,16H,8-13H2,1-3H3,(H,22,27)(H,23,28).
What are the key properties of N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide?
N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 154798138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).